My Community

Dear all,

I want to know the orbital moment part for certain state for the spin-orbit calculations. Can we do that ?
If my understanding is correct, in the PROCAR, mx, my, mz component is also written. Then, are the number corresponds to the total angular momentum? I mean, orbital angular moment + spin angular moment?

I already know that the LORBMOM tag generates orbital moment component for each atom to the OUTCAR, but what I want to know is that can we do the same thing for the PROCAR file whithin LORBIT=11 ?

Thank you.

Kim.

<span class='smallblacktext'>[ Edited ]</span>

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP